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skip topology scaling tests for AMBER03* and AMBER03w FF
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See issue #236 for details.
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orbeckst committed Mar 10, 2023
1 parent ccbdc8a commit 0563818
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Showing 2 changed files with 6 additions and 2 deletions.
4 changes: 3 additions & 1 deletion tests/fileformats/top/test_amber03star.py
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import pytest

from gromacs.exceptions import GromacsError
import gromacs

from .top import TopologyTest
from ...datafiles import datafile

@pytest.mark.xfail(gromacs.release().startswith("2022"),
reason="issue https://github.com/Becksteinlab/GromacsWrapper/issues/236")
class TestAmber03star(TopologyTest):
processed = datafile('fileformats/top/amber03star/processed.top')
conf = datafile('fileformats/top/amber03star/conf.gro')
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4 changes: 3 additions & 1 deletion tests/fileformats/top/test_amber03w.py
Original file line number Diff line number Diff line change
Expand Up @@ -7,11 +7,13 @@

import pytest

from gromacs.exceptions import GromacsError
import gromacs

from .top import TopologyTest
from ...datafiles import datafile

@pytest.mark.xfail(gromacs.release().startswith("2022"),
reason="issue https://github.com/Becksteinlab/GromacsWrapper/issues/236")
class TestAmber03w(TopologyTest):
processed = datafile('fileformats/top/amber03w/processed.top')
conf = datafile('fileformats/top/amber03w/conf.gro')
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